3-Methyl-3,4-divinylcyclohexene
PubChem CID: 556488
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| Compound Synonyms | 3-Methyl-3,4-divinylcyclohexene, 61141-77-3, Cyclohexene, 3,4-diethenyl-3-methyl-, WRNRNPOLSGTBHQ-UHFFFAOYSA-N, 3,4-di(ethenyl)-3-methyl-cyclohexene, 3-Methyl-3,4-divinyl-1-cyclohexene #, DB-304735 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Elemane sesquiterpenoids |
| Deep Smiles | C=CCCCC=CC6C)C=C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4-bis(ethenyl)-3-methylcyclohexene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 4.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C11H16 |
| Scaffold Graph Node Bond Level | C1=CCCCC1 |
| Inchi Key | WRNRNPOLSGTBHQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | cyclohexene-3,4-diethenyl-3-methyl |
| Esol Class | Soluble |
| Functional Groups | C=CC, CC=CC |
| Compound Name | 3-Methyl-3,4-divinylcyclohexene |
| Exact Mass | 148.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 148.24 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C11H16/c1-4-10-8-6-7-9-11(10,3)5-2/h4-5,7,9-10H,1-2,6,8H2,3H3 |
| Smiles | CC1(C=CCCC1C=C)C=C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Sesquiterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Chromolaena Odorata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2007.10643525